Geometry & MOs

Info

ID:	190539
PubChem CID:	78017860
Reduced:	N2P7O8C22H27 (1)
Stoich.:	A2B7C8D22E27 (1)
Weight, g/mol:	314.122634
ΔH_f, kcal/mol:	-227.03
Dipole, Da:	4.21
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] 2-aminoacetate

Drug info:

PubChemData

Smile

CC1(C2CC3C(C(=C(C(=O)C3(C(=C2C(=O)C4=C1C=CC=C4OP)OP)OP)C(=O)N=P#P)OP)N(C)C)OP

DOS

IR

Vibrations